2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYL
Thuốc Gốc
Small Molecule
CTHH: C14H14N2O5S2
PTK: 354.401
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C14H14N2O5S2
Phân tử khối
354.401
Monoisotopic mass
354.034412948
InChI
InChI=1S/C14H14N2O5S2/c1-7-6-23-12(16-10(7)13(18)19)11(14(20)21)15-9(17)5-8-3-2-4-22-8/h2-4,10-11H,1,5-6H2,(H,15,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1
InChI Key
InChIKey=VBBNCGUNWSPHOY-QWRGUYRKSA-N
IUPAC Name
(4S)-2-[(R)-carboxy[2-(thiophen-2-yl)acetamido]methyl]-5-methylidene-5,6-dihydro-4H-1,3-thiazine-4-carboxylic acid
Traditional IUPAC Name
(4S)-2-[(R)-carboxy[2-(thiophen-2-yl)acetamido]methyl]-5-methylidene-4,6-dihydro-1,3-thiazine-4-carboxylic acid
SMILES
[H][C@@](NC(=O)CC1=CC=CS1)(C(O)=O)C1=N[C@]([H])(C(O)=O)C(=C)CS1
Độ hòa tan
5.34e-02 g/l
logP
1.35
logS
-3.8
pKa (strongest acidic)
3.62
pKa (Strongest Basic)
0.098
PSA
116.06 Å2
Refractivity
83.89 m3·mol-1
Polarizability
32.9 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
6
H Bond Donor Count
3
Physiological Charge
-2
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading